==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 02-NOV-12 4HUE . COMPND 2 MOLECULE: RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.PATRA,M.EGLI . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 61 A E 0 0 138 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.8 -4.7 15.1 15.2 2 62 A E - 0 0 161 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.730 360.0 -89.4-111.6 162.4 -4.2 18.6 13.8 3 63 A I - 0 0 26 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 -0.448 26.9-143.9 -67.6 135.5 -1.7 20.2 11.5 4 64 A I - 0 0 76 -2,-0.2 24,-0.1 1,-0.2 -1,-0.1 -0.901 15.2-171.0 -98.0 103.1 1.4 21.8 13.1 5 65 A W S S+ 0 0 138 -2,-0.8 2,-2.0 1,-0.2 24,-0.6 0.822 73.6 73.3 -68.6 -32.6 1.9 24.8 10.9 6 66 A E S S+ 0 0 93 22,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.568 87.0 94.0 -79.9 78.7 5.3 25.7 12.5 7 67 A S S S- 0 0 1 -2,-2.0 21,-2.2 60,-0.2 2,-0.4 -0.893 74.5-105.6-155.6 177.4 7.0 22.8 10.8 8 68 A L E -Ab 27 69A 1 60,-2.5 62,-3.2 -2,-0.3 2,-0.4 -0.955 26.8-159.1-117.3 137.5 9.0 21.7 7.7 9 69 A S E -Ab 26 70A 0 17,-2.9 17,-3.0 -2,-0.4 2,-0.3 -0.953 7.5-167.7-116.8 141.0 7.4 19.6 4.9 10 70 A V E +Ab 25 71A 0 60,-2.3 62,-0.5 -2,-0.4 2,-0.3 -0.903 11.5 161.9-123.8 154.1 9.4 17.5 2.4 11 71 A D E -A 24 0A 10 13,-1.7 13,-2.0 -2,-0.3 2,-0.3 -0.975 27.8-120.7-162.7 165.6 8.6 15.8 -0.9 12 72 A V E -A 23 0A 9 -2,-0.3 2,-0.6 11,-0.2 121,-0.4 -0.827 7.9-148.3-113.3 144.4 10.2 14.3 -3.9 13 73 A G E -A 22 0A 1 9,-2.6 9,-1.9 -2,-0.3 2,-0.3 -0.971 26.3-171.2-109.8 117.8 9.8 15.1 -7.6 14 74 A S E -A 21 0A 3 -2,-0.6 235,-2.3 7,-0.2 2,-0.3 -0.731 28.4-161.8-105.6 153.7 10.3 12.0 -9.7 15 75 A Q E >S-Ac 20 249A 19 5,-2.0 5,-1.3 1,-0.6 235,-0.2 -0.770 83.0 -24.1-125.3 83.9 10.6 11.5 -13.4 16 76 A G T 5S- 0 0 7 233,-3.0 -1,-0.6 -2,-0.3 3,-0.2 0.017 83.3 -84.2 92.0 155.9 9.7 7.8 -13.4 17 77 A N T 5S+ 0 0 70 1,-0.5 2,-0.2 233,-0.3 27,-0.1 -0.878 129.9 22.8-137.3 103.4 10.1 5.2 -10.6 18 78 A P T 5S+ 0 0 75 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.598 118.3 93.8 -67.8 158.0 12.9 4.3 -10.8 19 79 A G E 5S- D 0 43A 6 24,-2.5 24,-1.8 -3,-0.2 -3,-0.2 -0.959 79.0 -20.2 177.0-163.9 13.9 7.5 -12.5 20 80 A I E < -A 15 0A 29 -5,-1.3 -5,-2.0 -2,-0.3 2,-0.4 -0.435 62.1-161.0 -66.1 138.6 15.4 11.0 -11.9 21 81 A V E +AD 14 40A 0 19,-2.1 19,-3.2 -7,-0.2 2,-0.3 -0.990 19.3 162.0-125.8 129.4 14.8 12.1 -8.3 22 82 A E E -A 13 0A 40 -9,-1.9 -9,-2.6 -2,-0.4 2,-0.3 -0.920 11.9-174.6-130.9 166.6 14.9 15.5 -6.8 23 83 A Y E -AD 12 37A 0 14,-1.0 14,-2.6 -2,-0.3 2,-0.3 -0.987 6.5-170.5-151.7 165.0 13.5 16.7 -3.4 24 84 A K E -AD 11 36A 24 -13,-2.0 -13,-1.7 -2,-0.3 2,-0.4 -0.986 16.2-138.5-152.2 164.5 13.0 19.8 -1.3 25 85 A G E -AD 10 35A 0 10,-2.4 9,-2.7 -2,-0.3 10,-1.5 -0.989 26.1-178.2-125.1 134.4 12.0 21.0 2.1 26 86 A V E -AD 9 33A 3 -17,-3.0 -17,-2.9 -2,-0.4 2,-0.4 -0.907 38.2 -94.2-132.6 156.4 9.7 23.9 2.6 27 87 A D E > -A 8 0A 16 5,-2.3 4,-2.5 -2,-0.3 -19,-0.2 -0.587 35.8-141.2 -66.4 123.2 8.2 25.9 5.5 28 88 A T T 4 S+ 0 0 2 -21,-2.2 -1,-0.2 -2,-0.4 -22,-0.1 0.828 96.4 38.1 -61.2 -33.1 4.8 24.3 5.9 29 89 A K T 4 S+ 0 0 104 -24,-0.6 -1,-0.2 -22,-0.4 -23,-0.1 0.942 129.9 24.2 -82.7 -51.2 3.1 27.6 6.6 30 90 A T T 4 S- 0 0 84 -25,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.709 90.2-128.7 -95.0 -23.8 4.8 30.0 4.2 31 91 A G < + 0 0 26 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.473 48.4 160.7 85.5 1.5 6.1 27.7 1.4 32 92 A E - 0 0 117 1,-0.1 -5,-2.3 -6,-0.1 2,-0.6 -0.358 44.3-122.7 -57.3 126.8 9.6 29.2 1.7 33 93 A V E +D 26 0A 70 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.667 33.7 176.9 -76.1 118.8 12.0 26.7 0.1 34 94 A L E - 0 0 34 -9,-2.7 2,-0.3 -2,-0.6 -8,-0.2 0.801 64.2 -2.5 -96.1 -35.7 14.6 25.9 2.9 35 95 A F E -D 25 0A 16 -10,-1.5 -10,-2.4 2,-0.0 -1,-0.4 -0.984 60.5-169.4-153.2 155.3 16.7 23.3 1.0 36 96 A E E -D 24 0A 110 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.990 13.7-146.2-142.3 147.7 16.7 21.6 -2.3 37 97 A R E -D 23 0A 85 -14,-2.6 -14,-1.0 -2,-0.3 3,-0.1 -0.983 26.8-126.0-114.4 124.7 18.6 18.7 -3.9 38 98 A E E - 0 0 149 -2,-0.5 -17,-0.1 1,-0.2 -15,-0.0 -0.239 51.5 -65.6 -60.2 155.1 19.4 18.9 -7.6 39 99 A P E - 0 0 63 0, 0.0 -17,-0.2 0, 0.0 -1,-0.2 -0.140 43.7-149.1 -51.3 127.3 18.2 16.0 -9.8 40 100 A I E -D 21 0A 4 -19,-3.2 -19,-2.1 -3,-0.1 3,-0.1 -0.867 20.9-128.6 -96.6 127.5 19.9 12.7 -9.1 41 101 A P E S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.775 83.1 8.6 -60.4 -33.0 20.0 10.8 -12.4 42 102 A I E S+ 0 0 12 52,-0.2 56,-0.4 -22,-0.1 2,-0.3 -0.971 77.1 114.5-146.9 135.5 18.5 7.5 -11.2 43 103 A G E -D 19 0A 0 -24,-1.8 -24,-2.5 -2,-0.3 2,-0.3 -0.955 55.7 -89.1-172.7 176.5 16.8 6.4 -7.9 44 104 A T > - 0 0 15 -2,-0.3 4,-2.2 -26,-0.2 5,-0.2 -0.694 32.5-118.0 -96.8 157.7 13.5 5.3 -6.5 45 105 A N H > S+ 0 0 20 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.922 116.7 53.7 -57.7 -41.6 10.9 7.6 -5.1 46 106 A N H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 106.2 51.0 -59.8 -44.2 11.3 5.9 -1.7 47 107 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 110.7 50.2 -59.8 -43.0 15.0 6.5 -1.7 48 108 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 109.0 50.3 -60.6 -42.6 14.3 10.2 -2.5 49 109 A E H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.886 110.9 50.4 -66.1 -35.1 11.8 10.5 0.3 50 110 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.942 111.5 46.9 -65.3 -49.4 14.3 8.9 2.8 51 111 A L H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.873 109.6 56.1 -59.3 -38.2 17.1 11.4 1.7 52 112 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.914 108.4 45.4 -63.9 -43.1 14.6 14.2 2.0 53 113 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.937 114.2 48.2 -64.6 -45.5 13.8 13.4 5.6 54 114 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.911 109.8 52.6 -65.5 -39.0 17.4 13.0 6.6 55 115 A H H X S+ 0 0 47 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.939 109.5 50.5 -58.1 -45.5 18.3 16.2 4.9 56 116 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.894 108.7 51.6 -57.3 -41.7 15.6 17.9 6.9 57 117 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 112.2 45.6 -63.5 -43.1 17.0 16.4 10.1 58 118 A R H X S+ 0 0 125 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.916 113.6 50.0 -66.6 -43.4 20.5 17.7 9.4 59 119 A Y H X S+ 0 0 43 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.931 114.0 43.9 -58.3 -48.9 19.1 21.1 8.4 60 120 A L H <>S+ 0 0 4 -4,-2.7 5,-2.6 1,-0.2 4,-0.3 0.871 112.4 52.3 -70.1 -37.0 17.1 21.5 11.6 61 121 A K H ><5S+ 0 0 93 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.911 107.0 53.4 -63.7 -40.8 19.8 20.1 13.8 62 122 A E H 3<5S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.861 114.4 41.3 -62.1 -36.4 22.3 22.7 12.4 63 123 A R T 3<5S- 0 0 131 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.381 109.2-123.5 -93.3 3.6 19.9 25.5 13.2 64 124 A N T < 5 + 0 0 149 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.846 54.4 162.3 55.7 38.0 19.0 24.1 16.6 65 125 A S < - 0 0 29 -5,-2.6 -1,-0.2 -6,-0.1 50,-0.2 -0.664 37.7-159.7 -90.2 142.7 15.3 24.1 15.5 66 126 A R + 0 0 125 -2,-0.3 -1,-0.1 50,-0.1 -5,-0.1 0.332 49.9 128.8-100.5 6.6 12.7 22.1 17.4 67 127 A K - 0 0 60 49,-0.1 -60,-0.2 -7,-0.1 -2,-0.1 -0.301 58.2-121.0 -60.0 140.8 10.2 22.2 14.4 68 128 A P - 0 0 12 0, 0.0 -60,-2.5 0, 0.0 2,-0.4 -0.347 18.6-126.2 -76.8 165.7 8.8 18.8 13.3 69 129 A I E -be 8 118A 0 48,-2.7 50,-3.2 -62,-0.2 2,-0.5 -0.955 15.5-152.7-112.3 133.5 9.1 17.4 9.8 70 130 A Y E +be 9 119A 0 -62,-3.2 -60,-2.3 -2,-0.4 2,-0.3 -0.904 17.5 173.0-103.2 134.2 6.2 16.2 7.7 71 131 A S E -be 10 120A 0 48,-2.1 50,-2.6 -2,-0.5 -60,-0.1 -0.991 29.7-150.1-132.0 145.3 6.6 13.5 5.1 72 132 A N S S+ 0 0 45 -62,-0.5 2,-0.8 -2,-0.3 3,-0.1 0.342 75.1 94.7 -93.4 10.5 3.8 11.8 3.0 73 133 A S > - 0 0 12 1,-0.2 4,-2.3 -24,-0.1 5,-0.2 -0.824 47.8-177.4-108.8 101.1 5.9 8.7 2.8 74 134 A Q H > S+ 0 0 114 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.874 88.5 54.9 -59.7 -35.1 5.1 6.0 5.4 75 135 A T H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 109.2 45.0 -64.1 -48.2 7.9 3.9 4.0 76 136 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 110.6 54.1 -65.4 -36.9 10.5 6.6 4.3 77 137 A I H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.936 110.3 47.9 -61.2 -44.1 9.4 7.5 7.8 78 138 A K H X S+ 0 0 115 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.928 110.5 51.1 -63.2 -44.7 9.9 3.8 8.7 79 139 A W H X>S+ 0 0 19 -4,-2.5 5,-2.3 1,-0.2 4,-0.5 0.902 111.5 47.7 -59.5 -43.4 13.3 3.6 7.1 80 140 A V H ><5S+ 0 0 0 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.934 113.3 46.8 -63.8 -44.4 14.4 6.7 9.0 81 141 A K H 3<5S+ 0 0 121 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.863 115.3 46.4 -69.4 -32.5 13.1 5.4 12.3 82 142 A D H 3<5S- 0 0 86 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.546 104.8-133.3 -76.8 -10.2 14.7 2.0 11.7 83 143 A K T <<5S+ 0 0 66 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.851 76.6 99.6 53.8 38.6 17.9 3.8 10.6 84 144 A K < - 0 0 111 -5,-2.3 2,-0.9 -6,-0.2 -2,-0.2 -0.891 66.4-145.6-157.8 116.9 17.9 1.5 7.6 85 145 A A - 0 0 1 -2,-0.3 2,-2.0 17,-0.1 -9,-0.1 -0.756 12.3-160.4 -89.0 103.4 16.8 2.1 4.0 86 146 A K + 0 0 164 -2,-0.9 2,-0.3 2,-0.0 -1,-0.1 -0.328 31.2 156.7 -85.5 58.0 15.3 -1.2 2.8 87 147 A S - 0 0 23 -2,-2.0 -2,-0.0 1,-0.1 0, 0.0 -0.613 36.7-158.9 -84.7 144.1 15.6 -0.4 -0.9 88 148 A T + 0 0 143 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.314 46.5 134.2 -99.8 3.3 15.8 -3.1 -3.5 89 149 A L - 0 0 23 1,-0.1 -2,-0.1 6,-0.0 -45,-0.0 -0.349 63.7-108.7 -61.4 129.8 17.4 -0.9 -6.2 90 150 A V - 0 0 90 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.238 24.9-127.7 -56.0 141.9 20.3 -2.7 -7.9 91 151 A R + 0 0 142 -3,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.862 54.4 127.8 -94.8 105.9 23.7 -1.4 -7.1 92 152 A N S S- 0 0 68 -2,-0.8 4,-0.4 1,-0.0 3,-0.1 -0.798 75.5 -82.1-139.5-172.0 25.6 -0.6 -10.3 93 153 A E S > S+ 0 0 187 -2,-0.2 3,-1.0 1,-0.2 4,-0.4 0.890 126.8 55.9 -62.5 -37.7 27.5 2.3 -11.8 94 154 A E T 3 S+ 0 0 111 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.897 115.6 35.6 -60.3 -42.0 24.2 3.8 -13.0 95 155 A T T 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.264 85.7 108.1 -98.7 11.7 22.8 3.9 -9.4 96 156 A A H <> S+ 0 0 53 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.869 76.6 51.1 -59.7 -38.4 26.1 4.6 -7.7 97 157 A L H > S+ 0 0 78 -3,-0.4 4,-2.6 -4,-0.4 5,-0.2 0.960 110.4 45.6 -67.9 -49.9 25.1 8.2 -6.8 98 158 A I H > S+ 0 0 1 -56,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.920 115.2 48.6 -60.9 -39.0 21.8 7.5 -5.2 99 159 A W H X S+ 0 0 16 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.874 108.5 54.1 -70.3 -34.5 23.3 4.6 -3.2 100 160 A K H X S+ 0 0 107 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.939 111.7 45.0 -59.6 -45.9 26.2 6.8 -2.1 101 161 A L H X S+ 0 0 15 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.910 114.4 48.1 -66.5 -41.6 23.7 9.4 -0.8 102 162 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 111.4 50.0 -64.4 -44.6 21.5 6.7 0.9 103 163 A D H X S+ 0 0 58 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.902 112.5 47.9 -60.7 -41.0 24.5 5.1 2.5 104 164 A E H X S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.848 109.8 51.9 -69.0 -35.1 25.7 8.4 3.8 105 165 A A H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 110.5 49.0 -67.7 -42.6 22.3 9.3 5.2 106 166 A E H X S+ 0 0 24 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.905 109.4 52.1 -57.7 -45.1 22.2 6.0 7.0 107 167 A E H X S+ 0 0 116 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.926 108.6 51.1 -60.1 -41.3 25.7 6.6 8.4 108 168 A W H >X S+ 0 0 18 -4,-2.2 3,-1.1 1,-0.2 4,-0.6 0.939 110.4 48.6 -59.3 -47.6 24.5 10.0 9.7 109 169 A L H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.879 110.5 51.1 -61.2 -38.2 21.4 8.4 11.4 110 170 A N H 3< S+ 0 0 94 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.602 116.4 40.5 -80.9 -5.5 23.6 5.8 13.0 111 171 A T H << S+ 0 0 78 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.268 111.5 56.3-122.4 7.1 26.0 8.4 14.4 112 172 A H << - 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